SCHEMBL13626387

SCHEMBL13626387

C[C@@H]1CCC(=O)N1c1ccc(C(O)C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
HRH3 Q9Y5N1 2/20 0.39
HIF1A Q16665 1/20 0.38
PTGER2 P43116 9/20 0.36
PTGER4 P35408 1/20 0.36
PTGDR Q13258 2/20 0.36
PER2 O15055 3/20 0.36
ABL1 P00519 2/20 0.35
PTGER3 P43115 2/20 0.35
LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9892974 0.78 L3MBTL1 (0.53) CCNA2CDK2CCNA1HRH3ABL1
SCHEMBL13626389 0.78 CCNA2 (0.45) CCNA2CDK2CCNA1PTGER2PTGER4
SCHEMBL9893010 0.77 CCNA2 (0.46) CCNA2CDK2CCNA1HRH3PER2
SCHEMBL22352609 0.76 PTGER2 (0.59) CCNA2CDK2CCNA1PTGER2PTGER4
SCHEMBL13626386 0.76 PTGER2 (0.59) CCNA2CDK2CCNA1PTGER2PTGER4
SCHEMBL6788699 0.75 CCNA2 (0.55) CCNA2CDK2CCNA1PTGER2LMNA
SCHEMBL11112763 0.75 ESR1 (0.49) CCNA2CDK2CCNA1HRH3PER2
SCHEMBL13695442 0.73 DHODH (0.47) DHODHHRH3LMNA
SCHEMBL4636834 0.73 GAA (0.46) CCNA2CDK2CCNA1ABL1LMNA
SCHEMBL13626382 0.72 PTGER2 (0.42) CCNA2CDK2CCNA1PTGER2PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB DHODH 1858/4885CCNA2 1927/4885CDK2 3449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.